(6Z)-6-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Formula:C23H14N4O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:high (6Z)-6-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one is a drug-like molecule.

MolName	(6Z)-6-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one
MolecularFormula	C23H14N4O3Cl2S
Smiles	N=C(/C1=C/c2ccc(-c(cc(cc3)Cl)c3Cl)o2)N2N=C(COc3ccccc3)SC2=NC1=O
InChI	InChI=1S/C23H14Cl2N4O3S/c24-13-6-8-18(25)16(10-13)19-9-7-15(32-19)11-17-21(26)29-23(27-22(17)30)33-20(28-29)12-31-14-4-2-1-3-5-14/h1-11,26H,12H2
InChIK	BRSQDGCZFIORHA-UHFFFAOYSA-N
TotalMolweight	497.361
Molweight	497.361
MonoisotopicMass	496.016365
CLogP	3.7298
CLogS	-5.718
H Acceptors	7
H Donors	1
TotalSurfaceArea	346.57
Relative PSA	0.27934
PolarSurfaceArea	116.55
Druglikeness	5.7812
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.57576
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	5
Small Rings	5
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	2
BasicNitrogens	1
StereoCon

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1 - (6Z)-6-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one | 2 - (6Z)-6-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-5-imino-2-(phenoxymethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

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